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1

Computational tools for the interpretation of electron spin resonance spectra in solution

Zerbetto, Mirco, Licari, Daniele, Barone, Vincenzo, Polimeno, Antonino

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 746 KB

english, 2013

2

Simulations of Flow-Induced Director Patterns in Nematic Liquid Crystals Through Leslie-Ericksen Equations in Two Dimensions

Martins, Assis F., Gomes, Alexandre E., Orian, Laura, Polimeno, Antonino

Journal:

Molecular Crystals and Liquid Crystals Science and Technology Section A Molecular Crystals and Liquid Crystals

Year:

2000

Language:

english

File:

PDF, 445 KB

english, 2000

3

ChemInform Abstract: The Virtual Electron Paramagnetic Resonance Laboratory: A User Guide to ab initio Modeling

Vincenzo Barone, Antonino Polimeno

Journal:

Year:

2010

File:

PDF, 15 KB

2010

4

Hydrodynamic modeling of diffusion tensor properties of flexible molecules

Vincenzo Barone, Mirco Zerbetto, Antonino Polimeno

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 1.16 MB

english, 2009

5

Master equation representation of Fokker-Planck operators in the energy diffusion regime: Strong collision versus random walk processes

Antonino Polimeno, Pier Luigi Nordio, Giorgio Moro

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 464 KB

english, 1988

6

A many-body stochastic approach to rotational motions in liquids: a reassessment of the Hubbard-Einstein relation

Antonino Polimeno, Jack H. Freed

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 797 KB

english, 1990

7

Multi-barrier crossing regulated by the friction

Giorgio J. Moro, Antonino Polimeno

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 449 KB

english, 1992

8

Approximate and numerically exact solutions of the Fokker-Planck equation with bistable potentials

Giorgio J. Moro, Antonino Polimeno

Journal:

Chemical Physics

Year:

1989

Language:

english

File:

PDF, 1.21 MB

english, 1989

9

An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments

Silvia Carlotto, Raffaele Riccò, Camilla Ferrante, Michele Maggini, Antonino Polimeno, Caterina Benzi, Vincenzo Barone

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 410 KB

english, 2008

10

Corrigendum to “Structural Dynamics of Bio-Macromolecules by NMR: The Slowly Relaxing Local Structure Approach” [JPNMRS 56/4 360–405]

Eva Meirovitch, Yury E. Shapiro, Antonino Polimeno, Jack H. Freed

Journal:

Progress in Nuclear Magnetic Resonance Spectroscopy

Year:

2010

Language:

english

File:

PDF, 120 KB

english, 2010

11

Structural dynamics of bio-macromolecules by NMR: The slowly relaxing local structure approach

Eva Meirovitch, Yury E. Shapiro, Antonino Polimeno, Jack H. Freed

Journal:

Progress in Nuclear Magnetic Resonance Spectroscopy

Year:

2010

Language:

english

File:

PDF, 2.36 MB

english, 2010

12

Conformational processes and cooperativity effects in chain molecules

Alberta Ferrarini, Giorgio Moro, Pier Luigi Nordio, Antonino Polimeno

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 535 KB

english, 1988

13

A many-body stochastic approach to rotational motions in liquids: complex decay times in highly viscous fluids

Antonino Polimeno, Jack H. Freed

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 705 KB

english, 1990

14

Time resolved fluorescence of N,N-dimethylaminobenzonitrile in glycerol triacetate: experimental results and model interpretation

Giacomo Saielli, Antonino Polimeno, Pier Luigi Nordio, Paolo Bartolini, Marilena Ricci, Roberto Righini

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 600 KB

english, 1997

15

Theoretical model of photoinduced intramolecular charge transfer processes

Pier Luigi Nordio, Antonino Polimeno, Giacomo Saielli

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

1997

Language:

english

File:

PDF, 1.31 MB

english, 1997

16

Interpretation of the emission fluorescence spectra of two fluoroionophores: DMABN-Crown4 and DMABN-Crown5

Silvia Carlotto, Camilla Ferrante, Antonino Polimeno, Caterina Benzi, Vincenzo Barone

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 336 KB

english, 2010

17

C++ OPPS, a new software for the interpretation of protein dynamics from nuclear magnetic resonance measurements

Mirco Zerbetto, Antonino Polimeno, Eva Meirovitch

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 700 KB

english, 2010

18

Introduction

Antonio Laganà, Antonino Polimeno

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 32 KB

english, 2010

19

Stochastic modelling of roto-translational motion of dyes in micellar environment

Diego Frezzato, Antonino Polimeno, Alberta Ferrarini, Giorgio J. Moro

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2007

Language:

english

File:

PDF, 286 KB

english, 2007

20

Evaluation of translational friction coefficients of micro-sized spherical probes in nematic liquid crystals

Antonino Polimeno, Silvia Carlotto

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2008

Language:

english

File:

PDF, 260 KB

english, 2008

21

Time correlated fluorescence characterization of an asymmetrically focused flow in a microfluidic device

Silvia Carlotto, Ilaria Fortunati, Camilla Ferrante, Petra Schwille, Antonino Polimeno

Journal:

Microfluidics and Nanofluidics

Year:

2011

Language:

english

File:

PDF, 495 KB

english, 2011

22

Approximate description of Stokes shifts in ICT fluorescence emission

Giacomo Saielli, David Braun, Antonino Polimeno, Pier Luigi Nordio

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 399 KB

english, 1996

23

Time-resolved fluorescence of intramolecular charge-transfer systems: experimental results and theoretical predictions

David Braun, Pier Luigi Nordio, Antonino Polimeno, Giacomo Saielli

Journal:

Chemical Physics

Year:

1996

Language:

english

File:

PDF, 925 KB

english, 1996

24

Simulation of electron spin resonance spectroscopy in diverse environments: An integrated approach

Mirco Zerbetto, Antonino Polimeno, Vincenzo Barone

Journal:

Computer Physics Communications

Year:

2009

Language:

english

File:

PDF, 2.11 MB

english, 2009

25

Experimental evidence at atomic resolution of intra- and intermolecular CO⋯π(arene) bond interactions

Alessandro Gambaro, Paolo Ganis, Francesco Manoli, Antonino Polimeno, Saverio Santi, Alfonso Venzo

Journal:

Journal of Organometallic Chemistry

Year:

1999

Language:

english

File:

PDF, 108 KB

english, 1999

26

A diffusive model for interpreting solvation dynamics in isotropic and ordered liquid phases

Antonino Polimeno, Giacomo Saielli, Pier Luigi Nordio

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 297 KB

english, 1998

27

Dirichlet-to-Neumann Map for a Nonlinear Diffusion Equation

Vincenzo Barone, Silvana De Lillo, Gaia Lupo, Antonino Polimeno

Journal:

Studies in Applied Mathematics

Year:

2011

Language:

english

File:

PDF, 87 KB

english, 2011

28

Charge Transfer in Model Bioinspired Carotene–Porphyrin Dyads

Orian, Laura, Carlotto, Silvia, Di Valentin, Marilena, Polimeno, Antonino

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 271 KB

english, 2012

29

Heuristic approaches to the optimization of acceptor systems in bulk heterojunction cells: a computational study

Silvia Carlotto, Laura Orian, Antonino Polimeno

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 326 KB

english, 2012

30

Integrated computational strategies for UV/vis spectra of large molecules in solution

Barone, Vincenzo, Polimeno, Antonino

Journal:

Chemical Society Reviews

Year:

2007

Language:

english

File:

PDF, 521 KB

english, 2007

31

Two-dimensional hydrodynamical description of a rotating nematic sample in a magnetic field

POLIMENO, ANTONINO, MARTINS, ASSIS F.

Journal:

Liquid Crystals

Year:

1998

Language:

english

File:

PDF, 746 KB

english, 1998

32

Unraveling Solvent-Driven Equilibria between α- and 3 10 -Helices through an Integrated Spin Labeling and Computational Approach

Carlotto, Silvia, Cimino, Paola, Zerbetto, Mirco, Franco, Lorenzo, Corvaja, Carlo, Crisma, Marco, Formaggio, Fernando, Toniolo, Claudio, Polimeno, Antonino, Barone, Vincenzo

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 398 KB

english, 2007

33

Rotational dynamics of axially symmetric solutes in isotropic liquids. I. A collective cage description from molecular dynamics simulations

Polimeno, Antonino, Moro, Giorgio J., Freed, Jack H.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 640 KB

english, 1995

34

A cage model of liquids supported by molecular dynamics simulations. I. The cage variables

Moro, Giorgio J., Nordio, Pier Luigi, Noro, Massimo, Polimeno, Antonino

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.14 MB

english, 1994

35

Stochastic Modeling of Flexible Biomolecules Applied to NMR Relaxation. 2. Interpretation of Complex Dynamics in Linear Oligosaccharides

Kotsyubynskyy, Dmytro, Zerbetto, Mirco, Soltesova, Maria, Engström, Olof, Pendrill, Robert, Kowalewski, Jozef, Widmalm, Göran, Polimeno, Antonino

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 3.43 MB

english, 2012

36

Integrated Approach for Modeling the Emission Fluorescence of 4-( N , N -Dimethylamino)benzonitrile in Polar Environments

Carlotto, Silvia, Polimeno, Antonino, Ferrante, Camilla, Benzi, Caterina, Barone, Vincenzo

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 347 KB

english, 2008

37

Slow Motional ESR in Complex Fluids: The Slowly Relaxing Local Structure Model of Solvent Cage Effects

Polimeno, Antonino, Freed, Jack H.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 2.38 MB

english, 1995

38

Triplet–triplet energy transfer in fucoxanthin-chlorophyll protein from diatom Cyclotella meneghiniana: Insights into the structure of the complex

Di Valentin, Marilena, Meneghin, Elena, Orian, Laura, Polimeno, Antonino, Büchel, Claudia, Salvadori, Enrico, Kay, Christopher W.M., Carbonera, Donatella

Journal:

Biochimica et Biophysica Acta (BBA) - Bioenergetics

Year:

2013

Language:

english

File:

PDF, 1.77 MB

english, 2013

39

Evidence for water-mediated triplet–triplet energy transfer in the photoprotective site of the peridinin–chlorophyll a–protein

Di Valentin, Marilena, Tait, Claudia E., Salvadori, Enrico, Orian, Laura, Polimeno, Antonino, Carbonera, Donatella

Journal:

Biochimica et Biophysica Acta (BBA) - Bioenergetics

Year:

2014

Language:

english

File:

PDF, 2.05 MB

english, 2014

40

General Theoretical/Computational Tool for Interpreting NMR Spin Relaxation in Proteins

Zerbetto, Mirco, Polimeno, Antonino, Meirovitch, Eva

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 1.27 MB

english, 2009

41

An integrated approach to NMR spin relaxation in flexible biomolecules: Application to β-D-glucopyranosyl-(1→6)-α-D-mannopyranosyl-OMe

Zerbetto, Mirco, Polimeno, Antonino, Kotsyubynskyy, Dmytro, Ghalebani, Leila, Kowalewski, Jozef, Meirovitch, Eva, Olsson, Ulrika, Widmalm, Göran

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 715 KB

english, 2009

42

Integrated Computational Approach to the Analysis of NMR Relaxation in Proteins: Application to ps−ns Main Chain 15 N− 1 H and Global Dynamics of the Rho GTPase Binding Domain of Plexin-B1

Zerbetto, Mirco, Buck, Matthias, Meirovitch, Eva, Polimeno, Antonino

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 4.97 MB

english, 2011

43

Analysis of 15 N– 1 H NMR Relaxation in Proteins by a Combined Experimental and Molecular Dynamics Simulation Approach: Picosecond–Nanosecond Dynamics of the Rho GTPase Binding Domain of Plexin-B1 in the Dimeric State Indicates Allosteric Pathways

Zerbetto, Mirco, Anderson, Ross, Bouguet-Bonnet, Sabine, Rech, Mariano, Zhang, Liqun, Meirovitch, Eva, Polimeno, Antonino, Buck, Matthias

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 3.04 MB

english, 2013

44

Dynamics of liquid benzene: A cage analysis

Magro, Andrea, Frezzato, Diego, Polimeno, Antonino, Moro, Giorgio J., Chelli, Riccardo, Righini, Roberto

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 936 KB

english, 2005

45

A stochastic cage model for linear solutes

Moro, Giorgio J., Polimeno, Antonino

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 505 KB

english, 1997

46

An Improved Picture of Methyl Dynamics in Proteins from Slowly Relaxing Local Structure Analysis of 2 H Spin Relaxation

Meirovitch, Eva, Shapiro, Yury E., Polimeno, Antonino, Freed, Jack H.

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 188 KB

english, 2007

47

Methyl Dynamics in Proteins from NMR Slowly Relaxing Local Structure Spin Relaxation Analysis: A New Perspective

Meirovitch, Eva, Polimeno, Antonino, Freed, Jack H.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 227 KB

english, 2006

48

Role of gamma carboxylated Glu47 in connexin 26 hemichannel regulation by extracellular Ca2+: Insight from a local quantum chemistry study

Zonta, Francesco, Mammano, Fabio, Torsello, Mauro, Fortunati, Nicola, Orian, Laura, Polimeno, Antonino

Journal:

Biochemical and Biophysical Research Communications

Year:

2014

Language:

english

File:

PDF, 989 KB

english, 2014

49

Stochastic Modeling of Flexible Biomolecules Applied to NMR Relaxation. I. Internal Dynamics of Cyclodextrins: γ-Cyclodextrin as a Case Study

Zerbetto, Mirco, Kotsyubynskyy, Dmytro, Kowalewski, Jozef, Widmalm, Göran, Polimeno, Antonino

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 1.39 MB

english, 2012

50

On the reliability of NMR relaxation data analyses: A Markov Chain Monte Carlo approach

Abergel, Daniel, Volpato, Andrea, Coutant, Eloi P., Polimeno, Antonino

Journal:

Journal of Magnetic Resonance

Year:

2014

Language:

english

File:

PDF, 2.22 MB

english, 2014

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